[2-[1-(4-ethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: [2-[1-(4-ethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [2-[1-(4-ethylphenyl)ethylamino]-2-oxo-ethyl] 2-[(3-methyl-4-nitro-benzoyl)amino]acetate CAS Name: 2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]acetic acid [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 2-[(3-methyl-4-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-methyl-4-nitro-benzoyl)amino]acetic acid [2-[1-(4-ethylphenyl)ethylamino]-2-keto-ethyl] ester Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=C(C=C1)C(C)NC(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C22H25N3O6/c1-4-16-5-7-17(8-6-16)15(3)24-20(26)13-31-21(27)12-23-22(28)18-9-10-19(25(29)30)14(2)11-18/h5-11,15H,4,12-13H2,1-3H3,(H,23,28)(H,24,26)